3cib
From Proteopedia
Structure of BACE Bound to SCH727596
Overview
Guided by structure-based design, we synthesized two novel series of potent inhibitors of BACE1 and generated extensive SAR around both the prime and non-prime side binding pockets. The key feature of both series is a cyclic amine motif specifically crafted to achieve interactions with both the flap and with the S2' pocket.
About this Structure
3CIB is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors., Cumming JN, Le TX, Babu S, Carroll C, Chen X, Favreau L, Gaspari P, Guo T, Hobbs DW, Huang Y, Iserloh U, Kennedy ME, Kuvelkar R, Li G, Lowrie J, McHugh NA, Ozgur L, Pan J, Parker EM, Saionz K, Stamford AW, Strickland C, Tadesse D, Voigt J, Wang L, Wu Y, Zhang L, Zhang Q, Bioorg Med Chem Lett. 2008 Jun 1;18(11):3236-41. Epub 2008 Apr 25. PMID:18468890 Page seeded by OCA on Wed Jun 11 10:49:26 2008
